ChemSpider 2D Image | uralsaponin C | C42H64O16

uralsaponin C

  • Molecular FormulaC42H64O16
  • Average mass824.948 Da
  • Monoisotopic mass824.419434 Da
  • ChemSpider ID34991136

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,22β)-22,30-Dihydroxy-11-oxoolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,22β)-22,30-Dihydroxy-11-oxoolean-12-en-3-yl-2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
1262326-46-4 [RN]
Acide 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronique de (3β,22β)-22,30-dihydroxy-11-oxooléan-12-én-3-yle [French] [ACD/IUPAC Name]
Olean-12-en-11-one, 3-[(2-O-β-D-glucopyranuronosyl-β-D-glucopyranuronosyl)oxy]-22,30-dihydroxy-, (3β,22β)- [ACD/Index Name]
uralsaponin C
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bS)-9-hydroxy-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1CW86HCS2A [DBID]
UNII:1CW86HCS2A [DBID]
UNII-1CW86HCS2A [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 972.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 160.6±6.0 kJ/mol
    Flash Point: 287.8±27.8 °C
    Index of Refraction: 1.625
    Molar Refractivity: 202.8±0.4 cm3
    #H bond acceptors: 16
    #H bond donors: 9
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: 2.95
    ACD/LogD (pH 5.5): -2.46
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.55
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 270 Å2
    Polarizability: 80.4±0.5 10-24cm3
    Surface Tension: 74.8±5.0 dyne/cm
    Molar Volume: 573.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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